1-[3-[cyclobutyl-(4-methyl-1,2,4-triazol-3-yl)methyl]phenyl]-3-ethenyl-4-methylimidazol-2-one

C20H23N5O — CID 170732290

IUPAC1-[3-[cyclobutyl-(4-methyl-1,2,4-triazol-3-yl)methyl]phenyl]-3-ethenyl-4-methylimidazol-2-one
SMILESC=Cn1c(C)cn(-c2cccc(C(c3nncn3C)C3CCC3)c2)c1=O
InChIInChI=1S/C20H23N5O/c1-4-24-14(2)12-25(20(24)26)17-10-6-9-16(11-17)18(15-7-5-8-15)19-22-21-13-23(19)3/h4,6,9-13,15,18H,1,5,7-8H2,2-3H3
InChIKeyCZCHMXLMZKOZDV-UHFFFAOYSA-N
MW349.44 g/mol
LogP3.11
Rot. Bonds5

About 1-[3-[cyclobutyl-(4-methyl-1,2,4-triazol-3-yl)methyl]phenyl]-3-ethenyl-4-methylimidazol-2-one

1-[3-[cyclobutyl-(4-methyl-1,2,4-triazol-3-yl)methyl]phenyl]-3-ethenyl-4-methylimidazol-2-one (PubChem CID 170732290) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is 1-[3-[cyclobutyl-(4-methyl-1,2,4-triazol-3-yl)methyl]phenyl]-3-ethenyl-4-methylimidazol-2-one.

Molecular Properties

Compound Name1-[3-[cyclobutyl-(4-methyl-1,2,4-triazol-3-yl)methyl]phenyl]-3-ethenyl-4-methylimidazol-2-one
PubChem CID170732290
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name1-[3-[cyclobutyl-(4-methyl-1,2,4-triazol-3-yl)methyl]phenyl]-3-ethenyl-4-methylimidazol-2-one
SMILESC=Cn1c(C)cn(-c2cccc(C(c3nncn3C)C3CCC3)c2)c1=O
InChIInChI=1S/C20H23N5O/c1-4-24-14(2)12-25(20(24)26)17-10-6-9-16(11-17)18(15-7-5-8-15)19-22-21-13-23(19)3/h4,6,9-13,15,18H,1,5,7-8H2,2-3H3
InChIKeyCZCHMXLMZKOZDV-UHFFFAOYSA-N
XLogP3.11
TPSA57.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[3-[cyclobutyl-(4-methyl-1,2,4-triazol-3-yl)methyl]phenyl]-3-ethenyl-4-methylimidazol-2-one with MolForge

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Related Compounds

2-[3-[(R)-cyclobutyl-(4-methyl-1,2,4-triazol-3-yl)methyl]phenyl]-3-oxo-8-(trifluoromethyl)imidazo[1,5-a]pyridine-6-carboxylic acid
CID 166079619
3-[(3-bromophenyl)-cyclobutylmethyl]-4-methyl-1,2,4-triazole
CID 155435209
4-bromo-6-[3-[(R)-cyclobutyl-(4-methyl-1,2,4-triazol-3-yl)methyl]phenyl]-2-[(1S)-1-(dimethylamino)ethyl]-1H-pyrrolo[2,3-c]pyridin-7-one
CID 171623177
6-bromo-2-[3-[(R)-cyclopropyl-(4-methyl-1,2,4-triazol-3-yl)methyl]phenyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one
CID 171753486
2-[3-[(R)-cyclobutyl-(4-methyl-1,2,4-triazol-3-yl)methyl]phenyl]-6-[(1S)-1-[(3S)-3-methylpiperidin-1-yl]ethyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one
CID 166079106
3-[cyclobutyl-(3-nitrophenyl)methyl]-4-methyl-1,2,4-triazole;ethane
CID 178119708
2-[3-[(R)-cyclobutyl-(4-methyl-1,2,4-triazol-3-yl)methyl]phenyl]-6-[[methyl(oxetan-3-yl)amino]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one
CID 166079274
2-[3-[cyclobutyl-(4-methyl-1,2,4-triazol-3-yl)methyl]phenyl]-6-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one
CID 171752726
2-[3-[(R)-cyclobutyl-(4-methyl-1,2,4-triazol-3-yl)methyl]phenyl]-6-[[(2S)-2-methylpiperidin-1-yl]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one
CID 166080447
methyl 3-[[2-[3-[(R)-cyclobutyl-(4-methyl-1,2,4-triazol-3-yl)methyl]phenyl]-3-oxo-8-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]methyl-methylamino]propanoate
CID 166080291
2-[3-[(R)-cyclobutyl-(4-methyl-1,2,4-triazol-3-yl)methyl]phenyl]-6-[[(5S)-5-methyl-3-oxopyrazolidin-1-yl]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one
CID 166079070
3-[[2-[3-[(R)-cyclobutyl-(4-methyl-1,2,4-triazol-3-yl)methyl]phenyl]-3-oxo-8-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]methyl]-1,3-oxazolidin-2-one
CID 167186456

Frequently Asked Questions

What is the IUPAC name of 1-[3-[cyclobutyl-(4-methyl-1,2,4-triazol-3-yl)methyl]phenyl]-3-ethenyl-4-methylimidazol-2-one?
The IUPAC name of 1-[3-[cyclobutyl-(4-methyl-1,2,4-triazol-3-yl)methyl]phenyl]-3-ethenyl-4-methylimidazol-2-one (CID 170732290) is 1-[3-[cyclobutyl-(4-methyl-1,2,4-triazol-3-yl)methyl]phenyl]-3-ethenyl-4-methylimidazol-2-one.
What is the SMILES notation for 1-[3-[cyclobutyl-(4-methyl-1,2,4-triazol-3-yl)methyl]phenyl]-3-ethenyl-4-methylimidazol-2-one?
The canonical SMILES for 1-[3-[cyclobutyl-(4-methyl-1,2,4-triazol-3-yl)methyl]phenyl]-3-ethenyl-4-methylimidazol-2-one is C=Cn1c(C)cn(-c2cccc(C(c3nncn3C)C3CCC3)c2)c1=O.
What is the InChIKey of 1-[3-[cyclobutyl-(4-methyl-1,2,4-triazol-3-yl)methyl]phenyl]-3-ethenyl-4-methylimidazol-2-one?
The InChIKey is CZCHMXLMZKOZDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O/c1-4-24-14(2)12-25(20(24)26)17-10-6-9-16(11-17)18(15-7-5-8-15)19-22-21-13-23(19)3/h4,6,9-13,15,18H,1,5,7-8H2,2-3H3.
What are the key properties of 1-[3-[cyclobutyl-(4-methyl-1,2,4-triazol-3-yl)methyl]phenyl]-3-ethenyl-4-methylimidazol-2-one?
1-[3-[cyclobutyl-(4-methyl-1,2,4-triazol-3-yl)methyl]phenyl]-3-ethenyl-4-methylimidazol-2-one has a molecular weight of 349.44 g/mol, XLogP of 3.11, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[cyclobutyl-(4-methyl-1,2,4-triazol-3-yl)methyl]phenyl]-3-ethenyl-4-methylimidazol-2-one is sourced from PubChem (CID 170732290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).